Geometry & MOs

Info

ID:	358530
PubChem CID:	127296126
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	6.86
Dipole, Da:	7.02
IP(EA), eV:	-8.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCC3=NN(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations